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Large language models (LLMs) have shown promising potential in scientific research, enabling tasks ranging from knowledge retrieval to property prediction. Existing science benchmarks mainly focus on perceptual or knowledge-based tasks,…

Optimizing an experimental system can be extremely challenging when each experiment is expensive, time-consuming, or difficult to perform. Existing optimizers for expensive black-box problems, such as Bayesian optimization, are typically…

Sampling-based planning algorithms are the most common probabilistically complete algorithms and are widely used on many robot platforms. Within this class of algorithms, many variants have been proposed over the last 20 years, yet there is…

Robotics · Computer Science 2015-08-11 Mark Moll , Ioan A. Sucan , Lydia E. Kavraki

Research on new optimization algorithms is often funded based on the motivation that such algorithms might improve the capabilities to deal with real-world and industrially relevant optimization challenges. Besides a huge variety of…

Neural and Evolutionary Computing · Computer Science 2020-07-02 Ramses Sala , Ralf Müller

Real-world experiments involve batched & delayed feedback, non-stationarity, multiple objectives & constraints, and (often some) personalization. Tailoring adaptive methods to address these challenges on a per-problem basis is infeasible,…

Machine Learning · Computer Science 2024-11-11 Ethan Che , Daniel R. Jiang , Hongseok Namkoong , Jimmy Wang

Benchmarking optimization algorithms is fundamental for the advancement of computational intelligence. However, widely adopted artificial test suites exhibit limited correspondence with the diversity and complexity of real-world engineering…

Computational Engineering, Finance, and Science · Computer Science 2026-04-17 Stefan Ivić , Siniša Družeta , Luka Grbčić

The recent advent of autonomous laboratories, coupled with algorithms for high-throughput screening and active learning, promises to accelerate materials discovery and innovation. As these autonomous systems grow in complexity, the demand…

Variational quantum algorithms are a leading candidate for early applications on noisy intermediate-scale quantum computers. These algorithms depend on a classical optimization outer-loop that minimizes some function of a parameterized…

Mathematical models simulate various events under different conditions, enabling an early overview of the system to be implemented in practice, reducing the waste of resources and in less time. In project optimization, these models play a…

Optimization and Control · Mathematics 2021-05-11 Gustavo Barbosa Libotte , Fran Sérgio Lobato , Francisco Duarte Moura Neto , Gustavo Mendes Platt

The rapid advancement of large reasoning models has saturated existing math benchmarks, underscoring the urgent need for more challenging evaluation frameworks. To address this, we introduce OlymMATH, a rigorously curated, Olympiad-level…

Computation and Language · Computer Science 2026-04-14 Haoxiang Sun , Yingqian Min , Zhipeng Chen , Wayne Xin Zhao , Ji-Rong Wen

Large Language Models (LLMs) show promise for automated code optimization but struggle without performance context. This work introduces Opal, a modular framework that connects performance analytics insights with the vast body of published…

Performance · Computer Science 2025-10-02 Mohammad Zaeed , Tanzima Z. Islam , Vladimir Inđić

In recent years, quantum, quantum-inspired, and hybrid algorithms are increasingly showing promise for solving software engineering optimization problems. However, best-intended practices for conducting empirical studies have not yet well…

Software Engineering · Computer Science 2025-11-03 Man Zhang , Yuechen Li , Tao Yue , Kai-Yuan Cai

In the fast-moving world of AI, as organizations and researchers develop more advanced models, they face challenges due to their sheer size and computational demands. Deploying such models on edge devices or in resource-constrained…

Machine Learning · Computer Science 2025-09-23 Oussama Bouaggad , Natalia Grabar

Optimization problems are pervasive in sectors from manufacturing and distribution to healthcare. However, most such problems are still solved heuristically by hand rather than optimally by state-of-the-art solvers because the expertise…

Artificial Intelligence · Computer Science 2025-08-29 Ali AhmadiTeshnizi , Wenzhi Gao , Herman Brunborg , Shayan Talaei , Connor Lawless , Madeleine Udell

Bayesian optimisation is a powerful tool to solve expensive black-box problems, but fails when the stationary assumption made on the objective function is strongly violated, which is the case in particular for ill-conditioned or…

Machine Learning · Statistics 2019-12-06 Victor Picheny , Sattar Vakili , Artem Artemev

Modern astronomical surveys have multiple competing scientific goals. Optimizing the observation schedule for these goals presents significant computational and theoretical challenges, and state-of-the-art methods rely on expensive human…

Instrumentation and Methods for Astrophysics · Physics 2023-12-15 Maggie Voetberg , Brian Nord

Optimization of expensive computer models with the help of Gaussian process emulators in now commonplace. However, when several (competing) objectives are considered, choosing an appropriate sampling strategy remains an open question. We…

Optimization and Control · Mathematics 2013-10-03 Victor Picheny

The high cost and data scarcity in scientific exploration have motivated the use of large language models (LLMs) as knowledge-driven components in Bayesian optimization (BO). However, existing approaches typically embed LLMs directly into…

As models become increasingly sophisticated, conventional algorithm benchmarks are increasingly saturated, underscoring the need for more challenging benchmarks to guide future improvements in algorithmic reasoning. This paper introduces…

Artificial Intelligence · Computer Science 2025-06-13 Yaoming Zhu , Junxin Wang , Yiyang Li , Lin Qiu , ZongYu Wang , Jun Xu , Xuezhi Cao , Yuhuai Wei , Mingshi Wang , Xunliang Cai , Rong Ma

The substantial increase in data volume and complexity expected from future experiments will require significant investment to prepare experimental algorithms. These algorithms include physics object reconstruction, calibrations, and…